Modeling Water Electrolysis in Bipolar Membranes

Wrubel, Jacob; Chen, Yingying; Ma, Zhiwen; Deutsch, Todd

doi:10.1149/1945-7111/ab9ccb

Modeling Water Electrolysis in Bipolar Membranes

Journal Article · Wed Jul 01 00:00:00 EDT 2020 · Journal of the Electrochemical Society (Online)

DOI:https://doi.org/10.1149/1945-7111/ab9ccb· OSTI ID:1660192

^[1]; ^[1]; ^[1]; ^[1]

National Renewable Energy Lab. (NREL), Golden, CO (United States)

Bipolar membranes (BPMs) have proven useful in numerous electrochemical energy conversion and storage applications, including fuel cells and electrolyzers. However, water dissociation in bipolar membrane electrolysis cells (BPMECs) is a complicated phenomenon that occurs via several different pathways. In this work, we develop a model based on the Poisson-Nernst-Planck system that includes a multistep water-dissociation mechanism to observe the fundamental processes that contribute to BPMEC performance. The model, which is validated to in-house experimental data, demonstrates that the junction potential is the most significant contributor to the total electrolysis voltage. We investigated the effects of water-dissociation catalysts and found that the optimal catalyst $$p{K}_{a}$$ depends on how the catalyst is integrated into the BPM (although values near 7 are typically best, in accordance with conventional wisdom). We also simulated the water content across the BPM and found that dry-out is not a significant issue when the membrane is in contact with liquid water on both sides. The species conservation approach taken here leads to a physical understanding of the system without using any fitting parameters.

View Accepted Manuscript (DOE)

Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (EE-3F)

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1660192

Report Number(s):: NREL/JA-5500-77051; MainId:25014; UUID:250cf7e8-1855-426d-a338-7e3c46ba9427; MainAdminID:16264

Journal Information:: Journal of the Electrochemical Society (Online), Journal Name: Journal of the Electrochemical Society (Online) Journal Issue: 11 Vol. 167; ISSN 1945-7111

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (45)

Use of Bipolar Membranes for Maintaining Steady-State pH Gradients in Membrane-Supported, Solar-Driven Water Splitting McDonald, Michael B.; Ardo, Shane; Lewis, Nathan S. ChemSusChem, Vol. 7, Issue 11 https://doi.org/10.1002/cssc.201402288	journal	September 2014
Self Humidifying Hybrid Anion-Cation Membrane Fuel Cell Operated Under Dry Conditions Ünlü, M.; Zhou, J.; Kohl, P. A. Fuel Cells https://doi.org/10.1002/fuce.200900122	journal	September 2009
Water dissociation in bipolar membranes: Experiments and theory Simons, R.; Khanarian, G. The Journal of Membrane Biology, Vol. 38, Issue 1-2 https://doi.org/10.1007/BF01875160	journal	March 1978
The steady and non-steady state properties of bipolar membranes Simons, R. Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 274, Issue 1 https://doi.org/10.1016/0005-2736(72)90274-X	journal	July 1972
Electric field effects on proton transfer between ionizable groups and water in ion exchange membranes Simons, R. Electrochimica Acta, Vol. 29, Issue 2 https://doi.org/10.1016/0013-4686(84)87040-1	journal	February 1984
Water splitting in ion exchange membranes Simons, R. Electrochimica Acta, Vol. 30, Issue 3 https://doi.org/10.1016/0013-4686(85)80184-5	journal	March 1985
Bipolar membranes under forward and reverse bias conditions. Theory vs. experiment Ramírez, Patricio; Rapp, Hans-Jürgen; Mafé, Salvador Journal of Electroanalytical Chemistry, Vol. 375, Issue 1-2 https://doi.org/10.1016/0022-0728(94)03379-X	journal	September 1994
The origin and elimination of water splitting in ion exchange membranes during water demineralisation by electrodialysis Simons, R. Desalination, Vol. 28, Issue 1 https://doi.org/10.1016/S0011-9164(00)88125-4	journal	January 1979
Electroosmotic drag in polymer electrolyte membranes: an electrophoretic NMR study Ise, M.; Kreuer, K. D.; Maier, J. Solid State Ionics, Vol. 125, Issue 1-4 https://doi.org/10.1016/S0167-2738(99)00178-2	journal	October 1999
Ion transport and water dissociation in bipolar ion exchange membranes Bassignana, I. C.; Reiss, H. Journal of Membrane Science, Vol. 15, Issue 1 https://doi.org/10.1016/S0376-7388(00)81360-5	journal	August 1983
Limiting current density and water dissociation in bipolar membranes Strathmann, H.; Krol, J. J.; Rapp, H. -J Journal of Membrane Science, Vol. 125, Issue 1 https://doi.org/10.1016/S0376-7388(96)00185-8	journal	March 1997
Water splitting activity of oxygen-containing groups in graphene oxide catalyst in bipolar membranes Martínez, Rodrigo J.; Farrell, James Computational and Theoretical Chemistry, Vol. 1164 https://doi.org/10.1016/j.comptc.2019.112556	journal	September 2019
Impact of carbonation processes in anion exchange membrane fuel cells Krewer, Ulrike; Weinzierl, Christine; Ziv, Noga Electrochimica Acta, Vol. 263 https://doi.org/10.1016/j.electacta.2017.12.093	journal	February 2018
Measurements of water uptake and transport properties in anion-exchange membranes Li, Y. S.; Zhao, T. S.; Yang, W. W. International Journal of Hydrogen Energy, Vol. 35, Issue 11 https://doi.org/10.1016/j.ijhydene.2010.03.026	journal	June 2010
Desalination feasibility study of an industrial NaCl stream by bipolar membrane electrodialysis Ghyselbrecht, Karel; Silva, Ana; Van der Bruggen, Bart Journal of Environmental Management, Vol. 140 https://doi.org/10.1016/j.jenvman.2014.03.009	journal	July 2014
Transient ion exchange of anion exchange membranes exposed to carbon dioxide Myles, Timothy D.; Grew, Kyle N.; Peracchio, Aldo A. Journal of Power Sources, Vol. 296 https://doi.org/10.1016/j.jpowsour.2015.07.044	journal	November 2015
Theoretical design strategies of bipolar membrane fuel cell with enhanced self-humidification behavior Li, Qiushi; Gong, Jian; Peng, Sikan Journal of Power Sources, Vol. 307 https://doi.org/10.1016/j.jpowsour.2016.01.016	journal	March 2016
Experimental and theoretical investigations of steady and transient states in systems of ion exchange bipolar membranes Hurwitz, H. D.; Dibiani, R. Journal of Membrane Science, Vol. 228, Issue 1 https://doi.org/10.1016/j.memsci.2003.09.009	journal	January 2004
A comprehensive mathematical model of water splitting in bipolar membranes: Impact of the spatial distribution of fixed charges and catalyst at bipolar junction Mareev, S. A.; Evdochenko, E.; Wessling, M. Journal of Membrane Science, Vol. 603 https://doi.org/10.1016/j.memsci.2020.118010	journal	May 2020
Quantitative determination of acidic groups in functionalized graphene by direct titration Ederer, Jakub; Janoš, Pavel; Ecorchard, Petra Reactive and Functional Polymers, Vol. 103 https://doi.org/10.1016/j.reactfunctpolym.2016.03.021	journal	June 2016
Quantifying Electric Field Enhancement of Water Dissociation Rates in Bipolar Membranes Martinez, Rodrigo J.; Farrell, James Industrial & Engineering Chemistry Research, Vol. 58, Issue 2 https://doi.org/10.1021/acs.iecr.8b04987	journal	October 2018
Transparent Bipolar Membrane for Water Splitting Applications Chabi, Sakineh; Wright, Andrew G.; Holdcroft, Steven ACS Applied Materials & Interfaces, Vol. 9, Issue 32 https://doi.org/10.1021/acsami.7b04402	journal	August 2017
Solar-Driven Reduction of 1 atm of CO ₂ to Formate at 10% Energy-Conversion Efficiency by Use of a TiO ₂ -Protected III–V Tandem Photoanode in Conjunction with a Bipolar Membrane and a Pd/C Cathode Zhou, Xinghao; Liu, Rui; Sun, Ke ACS Energy Letters, Vol. 1, Issue 4 https://doi.org/10.1021/acsenergylett.6b00317	journal	September 2016
Electrolysis of CO ₂ to Syngas in Bipolar Membrane-Based Electrochemical Cells Li, Yuguang C.; Zhou, Dekai; Yan, Zhifei ACS Energy Letters, Vol. 1, Issue 6 https://doi.org/10.1021/acsenergylett.6b00475	journal	November 2016
Synergistic Electrochemical CO ₂ Reduction and Water Oxidation with a Bipolar Membrane Vermaas, David A.; Smith, Wilson A. ACS Energy Letters, Vol. 1, Issue 6 https://doi.org/10.1021/acsenergylett.6b00557	journal	November 2016
Reclamation of Aniline Wastewater and CO ₂ Capture Using Bipolar Membrane Electrodialysis Wang, Qiuyue; Jiang, Chenxiao; Wang, Yaoming ACS Sustainable Chemistry & Engineering, Vol. 4, Issue 10 https://doi.org/10.1021/acssuschemeng.6b01686	journal	August 2016
Hybrid Anion and Proton Exchange Membrane Fuel Cells Ünlü, Murat; Zhou, Junfeng; Kohl, Paul A. The Journal of Physical Chemistry C, Vol. 113, Issue 26 https://doi.org/10.1021/jp903252u	journal	June 2009
Strong electric field effects on proton transfer between membrane-bound amines and water Simons, R. Nature, Vol. 280, Issue 5725 https://doi.org/10.1038/280824a0	journal	August 1979
Solar conversion of CO2 to CO using Earth-abundant electrocatalysts prepared by atomic layer modification of CuO Schreier, Marcel; Héroguel, Florent; Steier, Ludmilla Nature Energy, Vol. 2, Issue 7 https://doi.org/10.1038/nenergy.2017.87	journal	June 2017
Investigations of the ex situ ionic conductivities at 30 °C of metal-cation-free quaternary ammonium alkaline anion-exchange membranes in static atmospheres of different relative humidities Varcoe, John R. Phys. Chem. Chem. Phys., Vol. 9, Issue 12 https://doi.org/10.1039/B615478F	journal	January 2007
New insights into the electrochemical hydrogen oxidation and evolution reaction mechanism Durst, J.; Siebel, A.; Simon, C. Energy Environ. Sci., Vol. 7, Issue 7 https://doi.org/10.1039/C4EE00440J	journal	January 2014
Photo-assisted water splitting with bipolar membrane induced pH gradients for practical solar fuel devices Vermaas, David A.; Sassenburg, Mark; Smith, Wilson A. Journal of Materials Chemistry A, Vol. 3, Issue 38 https://doi.org/10.1039/C5TA06315A	journal	January 2015
High performance electrospun bipolar membrane with a 3D junction Shen, Chunhui; Wycisk, Ryszard; Pintauro, Peter N. Energy & Environmental Science, Vol. 10, Issue 6 https://doi.org/10.1039/C7EE00345E	journal	January 2017
The balance of electric field and interfacial catalysis in promoting water dissociation in bipolar membranes Yan, Zhifei; Zhu, Liang; Li, Yuguang C. Energy & Environmental Science, Vol. 11, Issue 8 https://doi.org/10.1039/C8EE01192C	journal	January 2018
Mechanism of oxygen reactions at porous oxide electrodes. Part 2—Oxygen evolution at RuO2, IrO2 and IrxRu1−xO2 electrodes in aqueous acid and alkaline solution Lyons, Michael E. G.; Floquet, Stephane Physical Chemistry Chemical Physics, Vol. 13, Issue 12 https://doi.org/10.1039/c0cp02875d	journal	January 2011
Evaluating the interfacial reaction kinetics of the bipolar membrane interface in the bipolar membrane fuel cell Peng, Sikan; Lu, Shanfu; Zhang, Jin Physical Chemistry Chemical Physics, Vol. 15, Issue 27 https://doi.org/10.1039/c3cp52150h	journal	January 2013
Deviations from Ohm's Law in Weak Electrolytes Onsager, Lars The Journal of Chemical Physics, Vol. 2, Issue 9 https://doi.org/10.1063/1.1749541	journal	September 1934
Electrodialysis with Bipolar Membranes for Valorization of Brines Fernandez-Gonzalez, Carolina; Dominguez-Ramos, Antonio; Ibañez, Raquel Separation & Purification Reviews, Vol. 45, Issue 4 https://doi.org/10.1080/15422119.2015.1128951	journal	December 2015
Modeling of Conductive Transport in Proton-Exchange Membranes for Fuel Cells Thampan, Tony; Malhotra, Sanjiv; Tang, Hao Journal of The Electrochemical Society, Vol. 147, Issue 9 https://doi.org/10.1149/1.1393890	journal	January 2000
A Dusty Fluid Model for Predicting Hydroxyl Anion Conductivity in Alkaline Anion Exchange Membranes Grew, Kyle N.; Chiu, Wilson K. S. Journal of The Electrochemical Society, Vol. 157, Issue 3 https://doi.org/10.1149/1.3273200	journal	January 2010
Effects of Temperature and Carbon Dioxide on Anion Exchange Membrane Conductivity Grew, Kyle N.; Ren, Xiaoming; Chu, Deryn Electrochemical and Solid-State Letters, Vol. 14, Issue 12 https://doi.org/10.1149/2.011112esl	journal	January 2011
Calculating the Electrochemically Active Surface Area of Iridium Oxide in Operating Proton Exchange Membrane Electrolyzers Zhao, Shuai; Yu, Haoran; Maric, Radenka Journal of The Electrochemical Society, Vol. 162, Issue 12 https://doi.org/10.1149/2.0211512jes	journal	January 2015
Understanding Transport at the Acid-Alkaline Interface of Bipolar Membranes Grew, Kyle N.; McClure, Joshua P.; Chu, Deryn Journal of The Electrochemical Society, Vol. 163, Issue 14 https://doi.org/10.1149/2.0941614jes	journal	January 2016
PEM/AEM Junction Design for Bipolar Membrane Fuel Cells Ahlfield, John M.; Liu, Lisha; Kohl, Paul A. Journal of The Electrochemical Society, Vol. 164, Issue 12 https://doi.org/10.1149/2.1041712jes	journal	January 2017
Model Supported Analysis of Water Management in Alkaline Membrane Direct Methanol Fuel Cells Weinzierl, Christine Universitätsbibliothek Braunschweig https://doi.org/10.24355/dbbs.084-201707311029	text	January 2017

Similar Records

Simple model for ac impedance spectra in bipolar membranes

Journal Article · Thu Sep 19 00:00:00 EDT 1996 · Journal of Physical Chemistry · OSTI ID:420817

Understanding Multi-Ion Transport Mechanisms in Bipolar Membranes

Journal Article · Mon Nov 09 19:00:00 EST 2020 · ACS Applied Materials and Interfaces · OSTI ID:1828548

Comparing Advanced Bipolar Membranes for High-Current Electrodialysis and Membrane Electrolysis

Journal Article · Thu Feb 13 19:00:00 EST 2025 · ACS Energy Letters · OSTI ID:2569643

Related Subjects

25 ENERGY STORAGE
Second Wien Effect
bipolar membranes
electrolysis
hydrogen
ion exchange membranes
water dissociation

Modeling Water Electrolysis in Bipolar Membranes

Citation Formats

References (45)

Similar Records

Related Subjects